Chem
J-GLOBAL ID：200907059485088240   Nikkaji number：J883.050I

2-[[3-Phenyl-4-oxo-5-[2-[(3-ethyl-2,3-dihydrobenzothiazol)-2-ylidene]ethylidene]thiazolidin-2-ylidene]methyl]-3-ethylbenzothiazol-3-ium

2-[[3-フェニル-4-オキソ-5-[2-[(3-エチル-2,3-ジヒドロベンゾチアゾール)-2-イリデン]エチリデン]チアゾリジン-2-イリデン]メチル]-3-エチルベンゾチアゾール-3-イウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C30H26N2[N+]OS3
Molecular formula furigana： C30-H26-N3-O-S3
Molecular weight： 540.740
InChI： InChI=1S/C30H26N3OS3/c1-3-31-22-14-8-10-16-24(22)35-27(31)19-18-26-30(34)33(21-12-6-5-7-13-21)29(37-26)20-28-32(4-2)23-15-9-11-17-25(23)36-28/h5-20H,3-4H2,1-2H3/q+1
InChI key： YZFNLTSQBUXCJN-UHFFFAOYSA-N
SMILES： CCn1c(=CC=c2sc(=Cc3sc4ccccc4[n+]3CC)n(c3ccccc3)c2=O)sc2ccccc12
Systematic name  (3)：
  • 2-[[3-フェニル-4-オキソ-5-[2-[(3-エチル-2,3-ジヒドロベンゾチアゾール)-2-イリデン]エチリデン]チアゾリジン-2-イリデン]メチル]-3-エチルベンゾチアゾール-3-イウム
  • 3-エチル-2-({5-[2-(3-エチル-2,3-ジヒドロ-1,3-ベンゾチアゾール-2-イリデン)エチリデン]-4-オキソ-3-フェニル-1,3-チアゾリジン-2-イリデン}メチル)-1,3-ベンゾチアゾール-3-イウム
  • 3-ethyl-2-({5-[2-(3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene}methyl)-1,3-benzothiazol-3-ium
Other name (1)：
  • 2-[[3-Phenyl-4-oxo-5-[2-[(3-ethyl-2,3-dihydrobenzothiazol)-2-ylidene]ethylidene]thiazolidin-2-ylidene]methyl]-3-ethylbenzothiazol-3-ium
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